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2,5-Cyclohexadien-1-one, 3-hydroxy-6-[(phenylmethyl)amino]-4-[(phenylmethyl)imino]-2-undecyl-
SpectraBase Compound ID 8ClKlIJhF07
InChI InChI=1S/C31H40N2O2/c1-2-3-4-5-6-7-8-9-16-21-27-30(34)28(32-23-25-17-12-10-13-18-25)22-29(31(27)35)33-24-26-19-14-11-15-20-26/h10-15,17-20,22,32,35H,2-9,16,21,23-24H2,1H3/b33-29+
InChIKey IFOOXLHOWVFLBW-XPXRSFDGSA-N
Mol Weight 472.7 g/mol
Molecular Formula C31H40N2O2
Exact Mass 472.308979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A412W7THkek
Name 2,5-Cyclohexadien-1-one, 3-hydroxy-6-[(phenylmethyl)amino]-4-[(phenylmethyl)imino]-2-undecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.308978534 u
Formula C31H40N2O2
InChI InChI=1S/C31H40N2O2/c1-2-3-4-5-6-7-8-9-16-21-27-30(34)28(32-23-25-17-12-10-13-18-25)22-29(31(27)35)33-24-26-19-14-11-15-20-26/h10-15,17-20,22,32,35H,2-9,16,21,23-24H2,1H3/b33-29+
InChIKey IFOOXLHOWVFLBW-XPXRSFDGSA-N
Molecular Weight 472.673 g/mol
SMILES C1(=C(\C(=N\CC=2C=CC=CC2)C=C(C1=O)NCC=1C=CC=CC1)O)CCCCCCCCCCC